N-cyclohexyl-2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)propanamide

C18H21N3O4S — CID 17438338

IUPACN-cyclohexyl-2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)N(c1nccs1)C1CCCCC1
InChIInChI=1S/C18H21N3O4S/c1-13(25-16-10-6-5-9-15(16)21(23)24)17(22)20(18-19-11-12-26-18)14-7-3-2-4-8-14/h5-6,9-14H,2-4,7-8H2,1H3
InChIKeyFSVMVHJCJQPHPI-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.18
Rot. Bonds6

About N-cyclohexyl-2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)propanamide

N-cyclohexyl-2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 17438338) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID17438338
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-cyclohexyl-2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)N(c1nccs1)C1CCCCC1
InChIInChI=1S/C18H21N3O4S/c1-13(25-16-10-6-5-9-15(16)21(23)24)17(22)20(18-19-11-12-26-18)14-7-3-2-4-8-14/h5-6,9-14H,2-4,7-8H2,1H3
InChIKeyFSVMVHJCJQPHPI-UHFFFAOYSA-N
XLogP4.18
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-cyclohexyl-2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)propanamide (CID 17438338) is N-cyclohexyl-2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-cyclohexyl-2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)propanamide is CC(Oc1ccccc1[N+](=O)[O-])C(=O)N(c1nccs1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is FSVMVHJCJQPHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13(25-16-10-6-5-9-15(16)21(23)24)17(22)20(18-19-11-12-26-18)14-7-3-2-4-8-14/h5-6,9-14H,2-4,7-8H2,1H3.
What are the key properties of N-cyclohexyl-2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
N-cyclohexyl-2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 375.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 17438338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).